N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine

C15H13F3N6 — CID 71716094

IUPACN-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnnn1C
InChIInChI=1S/C15H13F3N6/c1-23(10-6-4-3-5-7-10)13-11(14-20-21-22-24(14)2)8-9-12(19-13)15(16,17)18/h3-9H,1-2H3
InChIKeySIISWNAEGIAHLD-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.06
Rot. Bonds3

About N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine

N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 71716094) has the molecular formula C15H13F3N6 and a molecular weight of 334.31 g/mol. Its IUPAC name is N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID71716094
Molecular FormulaC15H13F3N6
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC NameN-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnnn1C
InChIInChI=1S/C15H13F3N6/c1-23(10-6-4-3-5-7-10)13-11(14-20-21-22-24(14)2)8-9-12(19-13)15(16,17)18/h3-9H,1-2H3
InChIKeySIISWNAEGIAHLD-UHFFFAOYSA-N
XLogP3.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine (CID 71716094) is N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine is CN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnnn1C.
What is the InChIKey of N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SIISWNAEGIAHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6/c1-23(10-6-4-3-5-7-10)13-11(14-20-21-22-24(14)2)8-9-12(19-13)15(16,17)18/h3-9H,1-2H3.
What are the key properties of N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 334.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyltetrazol-5-yl)-N-phenyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71716094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).